A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 3 Home / Browse C / Computational Chemistry Computational Chemistry Advanced EN Share Print Modeling chemical systems computationally. AdvertisementAd space — term-top Definition Full Definition Modeling chemical systems computationally. Keywords molecular simulation Domains AI in Science Related Terms Symbolic Regression related to Finding mathematical equations from data. Automated Hypothesis Generation related to AI proposing scientific hypotheses. Surrogate Model related to Fast approximation of costly simulations. Active Experimentation related to AI selecting next experiments.